4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one

C17H14BrClN2O2 — CID 110644743

IUPAC4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(Br)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H14BrClN2O2/c18-13-3-1-2-12(10-13)17(23)21-9-8-20-16(22)15(21)11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H,20,22)
InChIKeyZXLFEGXPBWKAGZ-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.42
Rot. Bonds2

About 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one

4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one (PubChem CID 110644743) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
PubChem CID110644743
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(Br)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H14BrClN2O2/c18-13-3-1-2-12(10-13)17(23)21-9-8-20-16(22)15(21)11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H,20,22)
InChIKeyZXLFEGXPBWKAGZ-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275
3-(3-bromophenyl)-4-[4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]piperazin-2-one
CID 166346424
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973
(3R)-3-(4-fluorophenyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-2-one
CID 95121941
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one (CID 110644743) is 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one is O=C1NCCN(C(=O)c2cccc(Br)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The InChIKey is ZXLFEGXPBWKAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-13-3-1-2-12(10-13)17(23)21-9-8-20-16(22)15(21)11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H,20,22).
What are the key properties of 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one has a molecular weight of 393.67 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110644743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).